[4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL]METHYLAMINE

The Benzenemethanamine,4-[(4-methyl-1-piperazinyl)methyl]-, with the CAS registry number 515162-20-6, is also known as [4-[(4-Methylpiperazin-1-yl)methyl]phenyl]methylamine. It belongs to the product categories of API intermediates; Building Blocks; Heterocyclic Building Blocks; Piperazines. This chemical's molecular formula is C₁₃H₂₁N₃ and molecular weight is 219.33. What's more, its systematic name is 1-{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanamine.

Physical properties of Benzenemethanamine,4-[(4-methyl-1-piperazinyl)methyl]- are: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.29; (4)ACD/LogD (pH 7.4): -2.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.72 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 67.9 cm³; (15)Molar Volume: 206.8 cm³; (16)Polarizability: 26.92×10^-24 cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.06 g/cm³; (19)Flash Point: 155.1 °C; (20)Enthalpy of Vaporization: 57.97 kJ/mol; (21)Boiling Point: 336.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000112 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to respiratory system and skin and has the risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should not empty it into drains.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ccc(c1)CN)CN2CCN(CC2)C
(2)InChI: InChI=1S/C13H21N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-11,14H2,1H3
(3)InChIKey: HILINUGDTTXRNZ-UHFFFAOYSA-N